N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1H-inden-1-amine

Systemtic Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1H-inden-1-amine Openeye Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)indan-1-amine CAS Name: N-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1H-inden-1-amine IUPAC Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine Traditional Name: indan-1-yl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC4=CC=CC=C34

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC4=CC=CC=C34

InChI

InChI=1S/C19H21N3O4S/c23-22(24)15-8-10-18(19(13-15)27(25,26)21-11-3-4-12-21)20-17-9-7-14-5-1-2-6-16(14)17/h1-2,5-6,8,10,13,17,20H,3-4,7,9,11-12H2